**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-dehydroteasterone

Properties Image MNX_ID MNXM734861 reference chebi:20000 formula C28H46O4 global charge 0 mol weight 446.672 InChIKey SVBMASFUJDIDJC-XFJIFGBKSA-N InChI InChI=1S/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 SMILES CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3/t16-,17-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C:25](=[CH2:26])[CH2:3][C@@H:4]2[C@@:6]1([CH3:11])[C@H:12]1[CH2:7][CH2:8][C@:15]3([CH3:16])[C@@H:14]([CH2:9][CH2:10][C@@H:24]3[C@H:21]([CH3:20])[O:29]([OH:30])[O:31]([C@H:22]([CH:17]([CH3:18])[CH3:19])[CH3:23])[OH:32])[C@@H:13]1[CH2:5][C:27]2=[CH2:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 14 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
CHEBI:20000 chebi:20000 SVBMASFUJDIDJC-XFJIFGBKSA-N	3-dehydroteasterone (22R,23R)-22,23-dihydroxy-5alpha-campestane-3,6-dione (22R,23R,24S)-22,23-dihydroxy-5alpha-ergostane-3,6-dione 3,6-dioxo-Campestan-22R,23R-diol
lipidmaps:LMST01030131 lipidmapsM:LMST01030131 SVBMASFUJDIDJC-XFJIFGBKSA-N	3-Dehydroteasterone 3,6-dioxo-campestan-22R,23R-diol O4 ST 28:2
seed.compound:cpd14528 seedM:cpd14528 SVBMASFUJDIDJC-XFJIFGBKSA-N	3-Dehydroteasterone 3-dehydroteasterone dehydroteasterone
metacyc.compound:CPD-718 metacycM:CPD-718 SVBMASFUJDIDJC-XFJIFGBKSA-N	3-dehydroteasterone dehydroteasterone
seedM:M_cpd14528	secondary/obsolete/fantasy identifier